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High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials.
J Chem Theory Comput. 2017 Jan 10;13(1):245-264. doi: 10.1021/acs.jctc.6b00874. Epub 2016 Dec 7.
J Chem Theory Comput. 2017.
PMID: 28068769
A methane-water model for coarse-grained simulations of solutions and clathrate hydrates.
Jacobson LC, Molinero V.
Jacobson LC, et al.
J Phys Chem B. 2010 Jun 3;114(21):7302-11. doi: 10.1021/jp1013576.
J Phys Chem B. 2010.
PMID: 20462253
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Amorphous precursors in the nucleation of clathrate hydrates.
Jacobson LC, Hujo W, Molinero V.
Jacobson LC, et al.
J Am Chem Soc. 2010 Aug 25;132(33):11806-11. doi: 10.1021/ja1051445.
J Am Chem Soc. 2010.
PMID: 20669949
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Can amorphous nuclei grow crystalline clathrates? The size and crystallinity of critical clathrate nuclei.
Jacobson LC, Molinero V.
Jacobson LC, et al.
J Am Chem Soc. 2011 Apr 27;133(16):6458-63. doi: 10.1021/ja201403q. Epub 2011 Apr 5.
J Am Chem Soc. 2011.
PMID: 21466207
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Order parameters for the multistep crystallization of clathrate hydrates.
Jacobson LC, Matsumoto M, Molinero V.
Jacobson LC, et al.
J Chem Phys. 2011 Aug 21;135(7):074501. doi: 10.1063/1.3613667.
J Chem Phys. 2011.
PMID: 21861570
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How short is too short for the interactions of a water potential? Exploring the parameter space of a coarse-grained water model using uncertainty quantification.
Jacobson LC, Kirby RM, Molinero V.
Jacobson LC, et al.
J Phys Chem B. 2014 Jul 17;118(28):8190-202. doi: 10.1021/jp5012928. Epub 2014 Mar 19.
J Phys Chem B. 2014.
PMID: 24605768
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Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water.
Jacobson LC, Hujo W, Molinero V.
Jacobson LC, et al.
J Phys Chem B. 2009 Jul 30;113(30):10298-307. doi: 10.1021/jp903439a.
J Phys Chem B. 2009.
PMID: 19585976
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Nucleation pathways of clathrate hydrates: effect of guest size and solubility.
Jacobson LC, Hujo W, Molinero V.
Jacobson LC, et al.
J Phys Chem B. 2010 Nov 4;114(43):13796-807. doi: 10.1021/jp107269q.
J Phys Chem B. 2010.
PMID: 20931990
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